2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile
TL;DR: 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile (CAS 561305-80-4) is a chemical compound with molecular formula C17H15NO and molecular weight 249.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-3-(4-methylphenyl)-3-oxopropanenitrile
Also Known As: 2-benzyl-3-(4-methylphenyl)-3-oxopropanenitrile, 2-Benzyl-3-oxo-3-(4-methylphenyl)propanenitrile, J2.879.670F, 2-benzyl-3-(4-methylphenyl)-3-oxo-propanenitrile, 4-Methyl-I(2)-oxo-I+/--(phenylmethyl)benzenepropanenitrile
| Molecular Formula | C17H15NO |
|---|---|
| Molecular Weight | 249.12 g/mol |
| LogP | 3.5602 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.11537 |
| Heavy Atoms | 19 |
| Complexity | 593.40924 |
Chemical Identifiers
| CAS Number | 561305-80-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(CC2=CC=CC=C2)C#N |
Product Overview
2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile (CAS 561305-80-4), with molecular formula C17H15NO and molecular weight 249.12 g/mol. IUPAC: 2-benzyl-3-(4-methylphenyl)-3-oxopropanenitrile.
Chemical Property Profile of 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile
Property Insights of 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile
The XLogP value of 3.5602 indicates that 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile?
The CAS number of 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile is 561305-80-4.
What is the molecular formula of 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile?
The molecular formula of 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile is C17H15NO.
What is the molecular weight of 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile?
The molecular weight of 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile is 249.12 g/mol.
Where can I buy 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile?
You can request a quote for 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-3-(4-methylphenyl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.